General Information of the Compound
| Compound ID |
CP0449456
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| Compound Name |
5-(3-methoxyphenyl)-4-(4-(4-methyl-1H-imidazol-5-yl)piperidin-1-yl)pyrimidine
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| Structure |
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| Formula |
C20H23N5O
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| Molecular Weight |
349.438
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| Canonical SMILES |
COc1cccc(c1)-c1cncnc1N1CCC(CC1)c1[nH]cnc1C
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| InChI |
InChI=1S/C20H23N5O/c1-14-19(23-13-22-14)15-6-8-25(9-7-15)20-18(11-21-12-24-20)16-4-3-5-17(10-16)26-2/h3-5,10-13,15H,6-9H2,1-2H3,(H,22,23)
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| InChIKey |
PWLOHJCSBUHAHZ-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound